methyl 4-[[2-[4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]oxyacetyl]amino]benzoate

C23H26N2O8S — CID 42967897

IUPACmethyl 4-[[2-[4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]oxyacetyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)COC(=O)c2ccc(S(=O)(=O)N3CC(C)OC(C)C3)cc2)cc1
InChIInChI=1S/C23H26N2O8S/c1-15-12-25(13-16(2)33-15)34(29,30)20-10-6-18(7-11-20)23(28)32-14-21(26)24-19-8-4-17(5-9-19)22(27)31-3/h4-11,15-16H,12-14H2,1-3H3,(H,24,26)
InChIKeyHMMFZTOJBQUZFZ-UHFFFAOYSA-N
MW490.53 g/mol
LogP2.07
Rot. Bonds7

About methyl 4-[[2-[4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]oxyacetyl]amino]benzoate

methyl 4-[[2-[4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]oxyacetyl]amino]benzoate (PubChem CID 42967897) has the molecular formula C23H26N2O8S and a molecular weight of 490.53 g/mol. Its IUPAC name is methyl 4-[[2-[4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]oxyacetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[2-[4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]oxyacetyl]amino]benzoate
PubChem CID42967897
Molecular FormulaC23H26N2O8S
Molecular Weight490.53 g/mol
Exact Mass490.14
IUPAC Namemethyl 4-[[2-[4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]oxyacetyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)COC(=O)c2ccc(S(=O)(=O)N3CC(C)OC(C)C3)cc2)cc1
InChIInChI=1S/C23H26N2O8S/c1-15-12-25(13-16(2)33-15)34(29,30)20-10-6-18(7-11-20)23(28)32-14-21(26)24-19-8-4-17(5-9-19)22(27)31-3/h4-11,15-16H,12-14H2,1-3H3,(H,24,26)
InChIKeyHMMFZTOJBQUZFZ-UHFFFAOYSA-N
XLogP2.07
TPSA128.31 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.53
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze methyl 4-[[2-[4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]oxyacetyl]amino]benzoate with MolForge

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Related Compounds

[2-(4-nitroanilino)-2-oxoethyl] 4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoate
CID 42967904
[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] 4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoate
CID 42968359
[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoate
CID 40778384
propyl 4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoate
CID 43008143
butyl 4-[[2-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylanilino]-2-oxoethyl]amino]benzoate
CID 25346792
[2-[methyl(propan-2-yl)amino]-2-oxoethyl] 4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoate
CID 55398284
4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(4-sulfamoylphenyl)benzamide
CID 2326585
[2-(3,4-difluorophenyl)-2-oxoethyl] 4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoate
CID 42968218
4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(4-hydroxyphenyl)benzamide
CID 94696380
[2-(4-iodoanilino)-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate
CID 2353513
[2-(methylamino)-2-oxoethyl] 3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoate
CID 16525926
dimethyl (E)-2-[4-(2,6-dimethylmorpholin-4-yl)sulfonylanilino]but-2-enedioate
CID 168570463

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-[4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]oxyacetyl]amino]benzoate?
The IUPAC name of methyl 4-[[2-[4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]oxyacetyl]amino]benzoate (CID 42967897) is methyl 4-[[2-[4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]oxyacetyl]amino]benzoate.
What is the SMILES notation for methyl 4-[[2-[4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]oxyacetyl]amino]benzoate?
The canonical SMILES for methyl 4-[[2-[4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]oxyacetyl]amino]benzoate is COC(=O)c1ccc(NC(=O)COC(=O)c2ccc(S(=O)(=O)N3CC(C)OC(C)C3)cc2)cc1.
What is the InChIKey of methyl 4-[[2-[4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]oxyacetyl]amino]benzoate?
The InChIKey is HMMFZTOJBQUZFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O8S/c1-15-12-25(13-16(2)33-15)34(29,30)20-10-6-18(7-11-20)23(28)32-14-21(26)24-19-8-4-17(5-9-19)22(27)31-3/h4-11,15-16H,12-14H2,1-3H3,(H,24,26).
What are the key properties of methyl 4-[[2-[4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]oxyacetyl]amino]benzoate?
methyl 4-[[2-[4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]oxyacetyl]amino]benzoate has a molecular weight of 490.53 g/mol, XLogP of 2.07, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[2-[4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]oxyacetyl]amino]benzoate is sourced from PubChem (CID 42967897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).